UCSF

ZINC33595868

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.54 12.16 -24.82 1 9 0 103 526.659 13
Hi High (pH 8-9.5) 4.72 11.09 -50.35 0 9 -1 109 525.651 13

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )